(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(phenylmethoxymethoxy)pyrrolidin-2-one

C29H35NO4Si — CID 10529070

IUPAC(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(phenylmethoxymethoxy)pyrrolidin-2-one
SMILESCC(C)(C)[Si](OC[C@@H]1C[C@H](OCOCc2ccccc2)C(=O)N1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H35NO4Si/c1-29(2,3)35(25-15-9-5-10-16-25,26-17-11-6-12-18-26)34-21-24-19-27(28(31)30-24)33-22-32-20-23-13-7-4-8-14-23/h4-18,24,27H,19-22H2,1-3H3,(H,30,31)/t24-,27-/m0/s1
InChIKeyYXWPEXDNJQHFIB-IGKIAQTJSA-N
MW489.69 g/mol
LogP4.01
Rot. Bonds10

About (3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(phenylmethoxymethoxy)pyrrolidin-2-one

(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(phenylmethoxymethoxy)pyrrolidin-2-one (PubChem CID 10529070) has the molecular formula C29H35NO4Si and a molecular weight of 489.69 g/mol. Its IUPAC name is (3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(phenylmethoxymethoxy)pyrrolidin-2-one.

Molecular Properties

Compound Name(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(phenylmethoxymethoxy)pyrrolidin-2-one
PubChem CID10529070
Molecular FormulaC29H35NO4Si
Molecular Weight489.69 g/mol
Exact Mass489.23
IUPAC Name(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(phenylmethoxymethoxy)pyrrolidin-2-one
SMILESCC(C)(C)[Si](OC[C@@H]1C[C@H](OCOCc2ccccc2)C(=O)N1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H35NO4Si/c1-29(2,3)35(25-15-9-5-10-16-25,26-17-11-6-12-18-26)34-21-24-19-27(28(31)30-24)33-22-32-20-23-13-7-4-8-14-23/h4-18,24,27H,19-22H2,1-3H3,(H,30,31)/t24-,27-/m0/s1
InChIKeyYXWPEXDNJQHFIB-IGKIAQTJSA-N
XLogP4.01
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.69
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,3-Dioxolane-4,5-dicarboxamide, N,N'-dicyclohexyl-2-phenyl-
CID 597836
(E,2S,3R)-1-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-6-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxymethyl)-2-phenylmethoxyhex-4-en-1-one
CID 11445588
methyl (2R)-2-[(4S,5R)-5-[(1S)-1-acetamido-2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyacetate
CID 134973333
benzyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-2-carboxylate
CID 135010316
(3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidin-2-one
CID 164682624
benzyl (3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-(2,2,2-trifluoroacetyl)oxypyrrolidine-1-carboxylate
CID 101229168
[(3S,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-4-(phenylmethoxycarbonylamino)oxolan-3-yl] acetate
CID 25228081
benzyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-oxohexan-2-yl]carbamate
CID 66600416
2-[[Tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-5-oxo-3-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylic acid
CID 68001332
5-[1-[Tert-butyl(dimethyl)silyl]oxyethyl]-3-phenylmethoxypyrrolidin-2-one
CID 141651172
5-[1-[Tert-butyl(dimethyl)silyl]oxypropyl]-3-phenylmethoxypyrrolidin-2-one
CID 141651258
benzyl (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]amino]propanoate
CID 160866641

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(phenylmethoxymethoxy)pyrrolidin-2-one?
The IUPAC name of (3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(phenylmethoxymethoxy)pyrrolidin-2-one (CID 10529070) is (3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(phenylmethoxymethoxy)pyrrolidin-2-one.
What is the SMILES notation for (3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(phenylmethoxymethoxy)pyrrolidin-2-one?
The canonical SMILES for (3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(phenylmethoxymethoxy)pyrrolidin-2-one is CC(C)(C)[Si](OC[C@@H]1C[C@H](OCOCc2ccccc2)C(=O)N1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(phenylmethoxymethoxy)pyrrolidin-2-one?
The InChIKey is YXWPEXDNJQHFIB-IGKIAQTJSA-N. The full InChI is InChI=1S/C29H35NO4Si/c1-29(2,3)35(25-15-9-5-10-16-25,26-17-11-6-12-18-26)34-21-24-19-27(28(31)30-24)33-22-32-20-23-13-7-4-8-14-23/h4-18,24,27H,19-22H2,1-3H3,(H,30,31)/t24-,27-/m0/s1.
What are the key properties of (3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(phenylmethoxymethoxy)pyrrolidin-2-one?
(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(phenylmethoxymethoxy)pyrrolidin-2-one has a molecular weight of 489.69 g/mol, XLogP of 4.01, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(phenylmethoxymethoxy)pyrrolidin-2-one is sourced from PubChem (CID 10529070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).